7 Known Ingredients in Total


Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.



5 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC29883
Formula: C7H6O3

Ingredient ID: NPC278525
Formula: C17H9NO3

Ingredient ID: NPC232001
Formula: C10H13NO4

Ingredient ID: NPC2088
Formula: C6H10OS2

Ingredient ID: NPC156018
Formula: C6H10S

Ingredient ID: NPC131046
Formula: C18H34O5

Ingredient ID: NPC111888
Formula: C8H8O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC131046 C18H34O5 (E)-8,11,12-trihydroxyoctadec-9-enoic acid 330.2406242 -4.098 2.89 3.735 5 4 97.99 15 0 23 1
NPC156018 C6H10S Diallyl Sulfide 114.05 2.0288 2.01 2.011 0 0 25.3 4 0 7 0
NPC2088 C6H10OS2 Allicin 162.02 1.5076 1.79 0.237 1 0 61.58 5 0 9 0
NPC232001 C10H13NO4 4-[2-formyl-5-(hydroxymethyl)pyrrol-1-yl]butanoic acid 211.0844579 -1.1093 2.01 0.363 5 2 79.53 6 1 15 0
NPC278525 C17H9NO3 Liriodenine 275.06 -0.5665 2.89 3.275 2 0 48.42 0 5 21 0
NPC29883 C7H6O3 Paraben 138.03 -0.7001 1.9 1.07 2 2 57.53 3 1 10 0

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1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties